Chemoinformaics analysis of N-(1-HYDROXYETHYL)ACETAMIDE


Molecular Weight 103.121 nRot 1
Heavy Atom Molecular Weight 94.049 nRig 1
Exact Molecular Weight 103.063 nRing 0
Solubility: LogS 0.092 nHRing 0
Solubility: LogP 0.726 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 16 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 7 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 4 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 15.3851
nHD 2 BPOL 10.4669
QED 0.419
Synth 2.414
Natural Product Likeliness 1
NR-PPAR-gamma 0.053
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.002
HIA 0.005
CACO-2 -4.24
MDCK 0.0000323
BBB 0.981
PPB 0.457489
VDSS 1.72
FU 0.713953
CYP1A2-inh 0.218
CYP1A2-sub 0.269
CYP2c19-inh 0.028
CYP2c19-sub 0.826
CYP2c9-inh 0.009
CYP2c9-sub 0.518
CYP2d6-inh 0.011
CYP2d6-sub 0.464
CYP3a4-inh 0.014
CYP3a4-sub 0.268
CL 9.429
T12 0.795
hERG 0.038
Ames 0.161
ROA 0.026
SkinSen 0.949
Carcinogencity 0.022
EI 0.996
Respiratory 0.409
NR-Aromatase 0.008
Antiviral No
Prediction 0.952654